4CAV
Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a benzofuran ligand R0-09-4879
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM16 |
Synchrotron site | ESRF |
Beamline | BM16 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-10-26 |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 55.430, 57.011, 143.388 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.930 - 1.890 |
R-factor | 0.1889 |
Rwork | 0.186 |
R-free | 0.24835 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1iyk |
RMSD bond length | 0.023 |
RMSD bond angle | 2.180 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.070 | 0.280 |
Number of reflections | 33389 | |
<I/σ(I)> | 27 | 4.6 |
Completeness [%] | 95.1 | 91.8 |
Redundancy | 3.2 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 25% PEG3350, 0.2M NACL, pH 7.5 |